Name: Name:1-[3-(1-benzofuran-2-yl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-chloroethan-1-one
Brand: Angene
SKU: AG019NM8
Rating: 90 (10 reviews)

1-[3-(1-benzofuran-2-yl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-chloroethan-1-one

CAS No.:

790725-79-0

Catalog Number:

AG019NM8

Molecular Formula:

C17H13ClN2O3

Molecular Weight:

328.7497

Catalog Number:

AG019NM8

Chemical Name:

1-[3-(1-benzofuran-2-yl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-chloroethan-1-one

CAS Number:

790725-79-0

Molecular Formula:

C17H13ClN2O3

Molecular Weight:

328.7497

MDL Number:

MFCD06360004

IUPAC Name:

1-[5-(1-benzofuran-2-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-chloroethanone

InChI:

InChI=1S/C17H13ClN2O3/c18-10-17(21)20-13(15-6-3-7-22-15)9-12(19-20)16-8-11-4-1-2-5-14(11)23-16/h1-8,13H,9-10H2

InChI Key:

XWRHQDCSYNDPNC-UHFFFAOYSA-N

SMILES:

ClCC(=O)N1N=C(CC1c1ccco1)c1cc2c(o1)cccc2

Complexity:

498

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

328.061g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

328.752g/mol

Monoisotopic Mass:

328.061g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

59A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2